Geometry & MOs

Info

ID:	135262
PubChem CID:	51843936
Reduced:	NO2C13H19 (2)
Stoich.:	AB2C13D19 (2)
Weight, g/mol:	398.256943
ΔH_f, kcal/mol:	-172.54
Dipole, Da:	2.27
IP(EA), eV:	-8.72(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=C(O1)C)[C@@H](C2=CC=C(C=C2)OC)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations